Isoquinoline-5,8-D2 - CAS 2241982-85-2
Catalog: |
BB017584 |
Product Name: |
Isoquinoline-5,8-D2 |
CAS: |
2241982-85-2 |
Synonyms: |
isoquinoline; isoquinoline |
IUPAC Name: | 5,8-dideuterioisoquinoline |
Description: | Isoquinoline-5,8-D2 (CAS# 2241982-85-2 ) is a useful research chemical. |
Molecular Weight: | 131.17 |
Molecular Formula: | C9H5ND2 |
Canonical SMILES: | C1=CC=C2C=NC=CC2=C1 |
InChI: | InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H |
InChI Key: | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
LogP: | 2.23480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.057849228 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.057849228 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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